4-(5-Methyl-3-Phenyl-4-Isoxazolyl)benzenesulfonamide
CAS No.:181695-72-7
[Synonyms]
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide
4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide
benzenesulfonamide, 4-(5-methyl-3-phenyl-4-isoxazolyl)-
CBNumber:CB4754453
Molecular Formula:C16H14N2O3S
Molecular Weight:314.36
MDL Number:MFCD00950568
MOL File:181695-72-7.mol
Melting point 162-164°C
Boiling point 481.2±55.0 °C(Predicted)
Density 1.303±0.06 g/cm3(Predicted)
storage temp. room temp
solubility DMSO: >25mg/mL
pka 9.83±0.10(Predicted)
form powder
color white to off-white
InChI InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
InChIKey LNPDTQAFDNKSHK-UHFFFAOYSA-N
SMILES C1(S(N)(=O)=O)=CC=C(C2=C(C)ON=C2C2=CC=CC=C2)C=C1
CAS DataBase Reference 181695-72-7(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 2919279Q3W
NCI Dictionary of Cancer Terms valdecoxib
NCI Drug Dictionary Bextra
ATC code M01AH03
[Uses]
Valdecoxib is a nonsteroidal anti-inflammatory drug (NSAID) that exhibits anti-inflammatory, analgesic and antipyretic properties in animal models. It is a potent and selective inhibitor of prostaglandin synthesis primarily through inhibition of COX-2. Valdecoxib is used to relieve some symptoms caused by arthritis (rheumatism), such as inflammation, swelling, stiffness, and joint pain.
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